2-[3-amino-6-[[5-amino-6-(2-hydroxypropan-2-yl)-3-pyridinyl]oxy]-2-pyridinyl]propan-2-ol

C16H22N4O3 — CID 154951849

IUPAC2-[3-amino-6-[[5-amino-6-(2-hydroxypropan-2-yl)-3-pyridinyl]oxy]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1ncc(Oc2ccc(N)c(C(C)(C)O)n2)cc1N
InChIInChI=1S/C16H22N4O3/c1-15(2,21)13-11(18)7-9(8-19-13)23-12-6-5-10(17)14(20-12)16(3,4)22/h5-8,21-22H,17-18H2,1-4H3
InChIKeyCPHLOSLVRQEHQW-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.89
Rot. Bonds4

About 2-[3-amino-6-[[5-amino-6-(2-hydroxypropan-2-yl)-3-pyridinyl]oxy]-2-pyridinyl]propan-2-ol

2-[3-amino-6-[[5-amino-6-(2-hydroxypropan-2-yl)-3-pyridinyl]oxy]-2-pyridinyl]propan-2-ol (PubChem CID 154951849) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-[3-amino-6-[[5-amino-6-(2-hydroxypropan-2-yl)-3-pyridinyl]oxy]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[3-amino-6-[[5-amino-6-(2-hydroxypropan-2-yl)-3-pyridinyl]oxy]-2-pyridinyl]propan-2-ol
PubChem CID154951849
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name2-[3-amino-6-[[5-amino-6-(2-hydroxypropan-2-yl)-3-pyridinyl]oxy]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1ncc(Oc2ccc(N)c(C(C)(C)O)n2)cc1N
InChIInChI=1S/C16H22N4O3/c1-15(2,21)13-11(18)7-9(8-19-13)23-12-6-5-10(17)14(20-12)16(3,4)22/h5-8,21-22H,17-18H2,1-4H3
InChIKeyCPHLOSLVRQEHQW-UHFFFAOYSA-N
XLogP1.89
TPSA127.51 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-6-[[5-amino-6-(2-hydroxypropan-2-yl)-3-pyridinyl]oxy]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[3-amino-6-[[5-amino-6-(2-hydroxypropan-2-yl)-3-pyridinyl]oxy]-2-pyridinyl]propan-2-ol (CID 154951849) is 2-[3-amino-6-[[5-amino-6-(2-hydroxypropan-2-yl)-3-pyridinyl]oxy]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[3-amino-6-[[5-amino-6-(2-hydroxypropan-2-yl)-3-pyridinyl]oxy]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[3-amino-6-[[5-amino-6-(2-hydroxypropan-2-yl)-3-pyridinyl]oxy]-2-pyridinyl]propan-2-ol is CC(C)(O)c1ncc(Oc2ccc(N)c(C(C)(C)O)n2)cc1N.
What is the InChIKey of 2-[3-amino-6-[[5-amino-6-(2-hydroxypropan-2-yl)-3-pyridinyl]oxy]-2-pyridinyl]propan-2-ol?
The InChIKey is CPHLOSLVRQEHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-15(2,21)13-11(18)7-9(8-19-13)23-12-6-5-10(17)14(20-12)16(3,4)22/h5-8,21-22H,17-18H2,1-4H3.
What are the key properties of 2-[3-amino-6-[[5-amino-6-(2-hydroxypropan-2-yl)-3-pyridinyl]oxy]-2-pyridinyl]propan-2-ol?
2-[3-amino-6-[[5-amino-6-(2-hydroxypropan-2-yl)-3-pyridinyl]oxy]-2-pyridinyl]propan-2-ol has a molecular weight of 318.38 g/mol, XLogP of 1.89, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-6-[[5-amino-6-(2-hydroxypropan-2-yl)-3-pyridinyl]oxy]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 154951849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).